2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide

C16H17NO2S — CID 107929491

IUPAC2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide
SMILESCCOc1ccccc1Oc1ccc(C)cc1C(N)=S
InChIInChI=1S/C16H17NO2S/c1-3-18-14-6-4-5-7-15(14)19-13-9-8-11(2)10-12(13)16(17)20/h4-10H,3H2,1-2H3,(H2,17,20)
InChIKeyUCYSKDBFSDNYQS-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.82
Rot. Bonds5

About 2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide

2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide (PubChem CID 107929491) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide
PubChem CID107929491
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide
SMILESCCOc1ccccc1Oc1ccc(C)cc1C(N)=S
InChIInChI=1S/C16H17NO2S/c1-3-18-14-6-4-5-7-15(14)19-13-9-8-11(2)10-12(13)16(17)20/h4-10H,3H2,1-2H3,(H2,17,20)
InChIKeyUCYSKDBFSDNYQS-UHFFFAOYSA-N
XLogP3.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyphenoxy)-4-methylaniline
CID 26189556
2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide
CID 55057221
N-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide
CID 107929518
5-chloro-2-[2-(2-ethoxyphenoxy)ethoxy]benzenecarbothioamide
CID 20993126
5-methyl-2-(2-propoxyphenoxy)benzoic acid
CID 62514617
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carbothioamide
CID 114768094
5-methyl-2-(2-methylpropoxy)benzenecarbothioamide
CID 107929464
2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide
CID 63674918
2-(4-bromo-2-propan-2-ylphenoxy)-5-methylbenzenecarbothioamide
CID 107929628
5-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarbothioamide
CID 114017183
3-(2-ethoxy-5-methylphenyl)-2-methylpropanethioamide
CID 83933660
2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzenecarbothioamide
CID 107712493

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide?
The IUPAC name of 2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide (CID 107929491) is 2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide?
The canonical SMILES for 2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide is CCOc1ccccc1Oc1ccc(C)cc1C(N)=S.
What is the InChIKey of 2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide?
The InChIKey is UCYSKDBFSDNYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-3-18-14-6-4-5-7-15(14)19-13-9-8-11(2)10-12(13)16(17)20/h4-10H,3H2,1-2H3,(H2,17,20).
What are the key properties of 2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide?
2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide has a molecular weight of 287.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide is sourced from PubChem (CID 107929491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).